(Q105330633)

English

alpha-D-Glucopyranoside, beta-D-fructofuranosyl, 6-[3-(4-hydroxy-3-methoxyphenyl)-2-propenoate], (E)-; 6'-O-Feruloylsucrose

group of stereoisomers with the chemical formula C₂₂H₃₀O₁₄

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Statements

group of stereoisomers

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alkyl caffeate ester

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alkyl caffeate ester

518.1635556399998 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₂₂H₃₀O₁₄

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canonical SMILES

O=C(OCC1OC(OC2(OC(CO)C(O)C2O)CO)C(O)C(O)C1O)C=CC3=CC=C(O)C(OC)=C3

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isomeric SMILES

COc1cc(C=CC(=O)OCC2OC(O[C@]3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)ccc1O

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Identifiers

InChI=1S/C22H30O14/c1-32-12-6-10(2-4-11(12)25)3-5-15(26)33-8-14-16(27)18(29)19(30)21(34-14)36-22(9-24)20(31)17(28)13(7-23)35-22/h2-6,13-14,16-21,23-25,27-31H,7-9H2,1H3/t13?,14?,16?,17?,18?,19?,20?,21?,22-/m0/s1

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XMBZZLUIFFOAHR-JYQQYYBKSA-N

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based on heuristic

inferred from InChIKey

UniChem compound ID

1 reference

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